QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: markmick on December 6, 2015, 06:16

Title: 1T'-MoS2 lattice structure
Post by: markmick on December 6, 2015, 06:16

Is there an "open-source" cif or poscar model for 1T'-MoS2?  2H and 1T are easy to come by, but since 1T' is a distorted structure, I'm not clear how to create this from scratch.

Mark

Title: Re: 1T'-MoS2 lattice structure
Post by: Jess Wellendorff on December 6, 2015, 14:55

Looks like that structure is discussed here: http://www.researchgate.net/post/What_is_space_group_of_2x1_or_2x2_supercell_of_1T-MoS2_I_want_to_get_1T_phase_of_monolayer_MoS2_any_help_please2 (http://www.researchgate.net/post/What_is_space_group_of_2x1_or_2x2_supercell_of_1T-MoS2_I_want_to_get_1T_phase_of_monolayer_MoS2_any_help_please2)

Title: Re: 1T'-MoS2 lattice structure
Post by: Umberto Martinez on December 9, 2015, 15:47

It has also been discussed before on the forum
http://quantumwise.com/forum/index.php?topic=3139
http://quantumwise.com/forum/index.php?topic=3764

Title: Re: 1T'-MoS2 lattice structure
Post by: 395235863 on May 6, 2016, 11:05

need help too